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Results for submission 1H, 13C, and 15N Chemical Shift Assignments for the first Nterminal domain, RRM1, of hnRNP H.

BMRB ID: 15212

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Graph for 1H, 13C, and 15N Chemical Shift Assignments for the first Nterminal domain, RRM1, of hnRNP H

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_0007_325_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0007_325_0001.pdb 7.4551
S_0025_284_0001.pdb 8.7352
S_0010_179_0001.pdb 8.6498
S_0001_346_0001.pdb 6.9700
S_0004_16_0001.pdb 9.0255
S_0011_72_0001.pdb 7.2152
S_0023_252_0001.pdb 8.6858
S_0021_234_0001.pdb 11.0081
S_0004_204_0001.pdb 7.7222
S_0028_186_0001.pdb 7.5112
Averaged Ca-rmsd 8.298 +/- 1.199

RMSD against lowest energy structure for residues 31-54, 57-57

Structure Score
S_0007_325_0001.pdb 3.2055
S_0025_284_0001.pdb 2.7122
S_0010_179_0001.pdb 2.5896
S_0001_346_0001.pdb 2.8646
S_0004_16_0001.pdb 2.6018
S_0011_72_0001.pdb 2.9571
S_0023_252_0001.pdb 2.7822
S_0021_234_0001.pdb 3.2709
S_0004_204_0001.pdb 3.0125
S_0028_186_0001.pdb 3.2252
Averaged Ca-rmsd 2.922 +/- 0.255

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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Citation information:

"Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples" Oliver F. Lange; Paolo Rossi; Nikolaos G. Sgourakis; Yifan Song; Hsiau-Wei Lee; James M. Aramini; Asli Ertekin; Rong Xiao; Thomas B. Acton; Gaetano T. Montelione; David Baker; Proceedings of the National Academy of Sciences 109(27) 10873-10878 (2012) doi: 10.1073/pnas.1203013109

"De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds," Yang Shen; Philip N. Bryan; Yanan He; John Orban; David Baker; Ad Bax; Protein Science 19, 349-356 (2010) doi: 10.1002/pro.303

"De novo protein structure generation from incomplete chemical shift assignments," Yang Shen; Robert Vernon; David Baker; Ad Bax; J. Biomol. NMR 43, 63-78 (2009) doi: 10.1007/s10858-008-9288-5

"Consistent blind protein structure generation from NMR chemical shift data," Yang Shen; Oliver Lange; Frank Delaglio; Paolo Rossi; James M. Aramini; Gaohua Liu; Alexander Eletsky; Yibing Wu; Kiran K. Singarapu; Alexander Lemak; Alexandr Ignatchenko; Cheryl H. Arrowsmith; Thomas Szyperski; Gaetano T. Montelione; David Baker; Ad Bax; Proceedings of the National Academy of Sciences 105(12) 4685-4690 (2008) doi: 10.1073/pnas.0800256105

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